Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T74312 Target Info
Target Name Fms-like tyrosine kinase 3 (FLT-3)
Synonyms Stem cell tyrosine kinase 1; STK1; STK-1; Receptor-type tyrosine-protein kinase FLT3; Fetal liver kinase-2; FLT-3; FLK2; FLK-2; FL cytokine receptor; CD135
Target Type Successful Target
Gene Name FLT3
Biochemical Class Kinase
UniProt ID
FLT3_HUMAN
Ligand General Information  Top
Ligand Name AC220 Ligand Info
Canonical SMILES CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3
InChI 1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
InChIKey CVWXJKQAOSCOAB-UHFFFAOYSA-N
PubChem Compound ID 24889392
Drug Binding Sites of Target  Top
PDB ID: 4RT7      Crystal Structure of FLT3 with a small molecule inhibitor
Method X-ray diffraction Resolution 3.10 Å Mutation No [1]
PDB Sequence
YDLKWEFPRE
608
NLEFGKVLGS
618
GAFGKVMNAT
628
AYGISGVSIQ
640
VAVKMLKDSS
653

EREALMSELK
663
MMTQLGSHEN
673
IVNLLGACTL
683
SGPIYLIFEY
693
CCYGDLLNYL
703

RSKRNVLTFE
786
DLLCFAYQVA
796
KGMEFLEFKS
806
CVHRDLAARN
816
VLVTHGKVVK
826

ICDFGLARDI
836
MSDSNYVVRG
846
NARLPVKWMA
856
PESLFEGIYT
866
IKSDVWSYGI
876

LLWEIFSLGV
886
NPYPGIPVDA
896
NFYKLIQNGF
906
KMDQPFYATE
916
EIYIIMQSCW
926

AFDSRKRPSF
936
PNLTSFLGCQ
946
LADA
Residue
Distance (Å)
LYS614
3.931
LEU616
3.618
VAL624
4.059
ALA642
3.482
LYS644
3.460
GLU661
2.840
MET664
4.588
MET665
3.715
LEU668
3.595
ILE674
4.579
VAL675
3.915
PHE691
3.593
GLU692
4.562
TYR693
3.410
Residue
Distance (Å)
CYS694
3.009
CYS695
3.410
TYR696
4.104
GLY697
3.406
ASP698
4.767
LEU802
4.142
VAL808
4.970
HIS809
4.014
LEU818
3.371
ILE827
4.041
CYS828
3.047
ASP829
2.712
PHE830
3.504
PDB ID: 4XUF      Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220)
Method X-ray diffraction Resolution 3.20 Å Mutation No [2]
PDB Sequence
DLKWEFPREN
609
LEFGKVLGSG
619
AFGKVMNATA
629
YGISKTGVSI
639
QVAVKMLKES
652

SEREALMSEL
662
KMMTQLGSHE
672
NIVNLLGACT
682
LSGPIYLIFE
692
YCCYGDLLNY
702

LRSKRLTFED
787
LLCFAYQVAK
797
GMEFLEFKSC
807
VHRDLAARNV
817
LVTHGKVVKI
827

CDFGLARDIM
837
SDSNYVVRGN
847
ARLPVKWMAP
857
ESLFEGIYTI
867
KSDVWSYGIL
877

LWEIFSLGVN
887
PYPGIPVDAN
897
FYKLIQNGFK
907
MDQPFYATEE
917
IYIIMQSCWA
927

FDSRKRPSFP
937
NLTSFLGCQL
947
Residue
Distance (Å)
LEU616
3.380
VAL624
3.783
ALA642
3.587
LYS644
3.975
GLU661
2.189
MET664
3.636
MET665
3.189
LEU668
4.602
ILE674
3.449
VAL675
3.684
PHE691
4.098
GLU692
4.443
TYR693
4.005
Residue
Distance (Å)
CYS694
2.682
CYS695
2.131
TYR696
3.152
GLY697
3.580
LEU802
3.961
HIS809
3.540
LEU818
3.048
ILE827
3.695
CYS828
3.530
ASP829
2.903
PHE830
3.705
ALA833
4.430
References  Top
REF 1 Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397. Cancer Discov. 2015 Jun;5(6):668-79.
REF 2 Crystal structure of the FLT3 kinase domain bound to the inhibitor Quizartinib (AC220). PLoS One. 2015 Apr 2;10(4):e0121177.

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